Vapreotide Acetate
TL;DR: Vapreotide Acetate (CAS 849479-74-9) is a chemical compound with molecular formula C59H74N12O11S2 and molecular weight 1190.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Also Known As: Vapreotide acetate, Docrised, Octastatin, Sanvar, aceticacid
| Molecular Formula | C59H74N12O11S2 |
|---|---|
| Molecular Weight | 1190.50 g/mol |
| LogP | 2.1025 |
| Topological Polar Surface Area | 387.94 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 18 |
| Exact Mass | 1190.5042 |
| Heavy Atoms | 84 |
| Complexity | 3227.2935 |
Chemical Identifiers
| CAS Number | 849479-74-9 |
|---|---|
| SMILES | CC(C)[C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=CC=C5)N)C(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)N.CC(=O)O |
Product Overview
Vapreotide Acetate (CAS 849479-74-9), with molecular formula C59H74N12O11S2 and molecular weight 1190.50 g/mol. IUPAC: acetic acid;(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide.
Chemical Property Profile of Vapreotide Acetate
Property Insights of Vapreotide Acetate
The XLogP value of 2.1025 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vapreotide Acetate. The TPSA of 387.94 Ų indicates high polarity, suggesting Vapreotide Acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vapreotide Acetate has 14 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Vapreotide Acetate?
The CAS number of Vapreotide Acetate is 849479-74-9.
What is the molecular formula of Vapreotide Acetate?
The molecular formula of Vapreotide Acetate is C59H74N12O11S2.
What is the molecular weight of Vapreotide Acetate?
The molecular weight of Vapreotide Acetate is 1190.50 g/mol.
Where can I buy Vapreotide Acetate?
You can request a quote for Vapreotide Acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vapreotide Acetate?
Yes, KEHONG BIO provides custom synthesis services for Vapreotide Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.